1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide

C10H18N4O2S — CID 114794170

IUPAC1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCC2CCCN2)cn1
InChIInChI=1S/C10H18N4O2S/c1-14-8-10(7-12-14)17(15,16)13-6-4-9-3-2-5-11-9/h7-9,11,13H,2-6H2,1H3
InChIKeyVVGJOEPLECRZHB-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.16
Rot. Bonds5

About 1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide

1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide (PubChem CID 114794170) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide
PubChem CID114794170
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCC2CCCN2)cn1
InChIInChI=1S/C10H18N4O2S/c1-14-8-10(7-12-14)17(15,16)13-6-4-9-3-2-5-11-9/h7-9,11,13H,2-6H2,1H3
InChIKeyVVGJOEPLECRZHB-UHFFFAOYSA-N
XLogP-0.16
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-3-sulfonamide
CID 104972646
4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide
CID 106315491
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride
CID 120876392
1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazol-4-amine
CID 103568889
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 47034943
3,4-dichloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723468
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723443
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride
CID 120723340
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 94025310
4-nitro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 57035740

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide (CID 114794170) is 1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCC2CCCN2)cn1.
What is the InChIKey of 1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is VVGJOEPLECRZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-14-8-10(7-12-14)17(15,16)13-6-4-9-3-2-5-11-9/h7-9,11,13H,2-6H2,1H3.
What are the key properties of 1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide?
1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 114794170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).